(4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone

C17H27N5O2 — CID 97367677

IUPAC(4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESCN1CCN(C(=O)c2n[nH]c3c2CN(C2CCOCC2)CC3)CC1
InChIInChI=1S/C17H27N5O2/c1-20-6-8-21(9-7-20)17(23)16-14-12-22(5-2-15(14)18-19-16)13-3-10-24-11-4-13/h13H,2-12H2,1H3,(H,18,19)
InChIKeyZIDBWGIYLPTHNT-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.33
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone

(4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone (PubChem CID 97367677) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
PubChem CID97367677
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
SMILESCN1CCN(C(=O)c2n[nH]c3c2CN(C2CCOCC2)CC3)CC1
InChIInChI=1S/C17H27N5O2/c1-20-6-8-21(9-7-20)17(23)16-14-12-22(5-2-15(14)18-19-16)13-3-10-24-11-4-13/h13H,2-12H2,1H3,(H,18,19)
InChIKeyZIDBWGIYLPTHNT-UHFFFAOYSA-N
XLogP0.33
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone (CID 97367677) is (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone is CN1CCN(C(=O)c2n[nH]c3c2CN(C2CCOCC2)CC3)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone?
The InChIKey is ZIDBWGIYLPTHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20-6-8-21(9-7-20)17(23)16-14-12-22(5-2-15(14)18-19-16)13-3-10-24-11-4-13/h13H,2-12H2,1H3,(H,18,19).
What are the key properties of (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone has a molecular weight of 333.44 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(oxan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 97367677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).